General Information of the Compound
| Compound ID |
CP0377828
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| Compound Name |
1-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-3-[5-methyl-2-(4-trifluoromethyl-phenyl)-1H-indol-3-yl]-propan-1-one
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| Structure |
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| Formula |
C30H30F3N3O2
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| Molecular Weight |
521.583
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccc(C)cc12)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C30H30F3N3O2/c1-20-7-13-25-24(19-20)23(29(34-25)21-8-10-22(11-9-21)30(31,32)33)12-14-28(37)36-17-15-35(16-18-36)26-5-3-4-6-27(26)38-2/h3-11,13,19,34H,12,14-18H2,1-2H3
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| InChIKey |
MHQFKUKAMZLTID-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound